4-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C4CC4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C4CC4)C(C)C

InChI

InChI=1S/C19H22N4O2S/c1-10(2)14-8-15-13(7-17(24)25-16(15)6-11(14)3)9-26-19-22-21-18(23(19)20)12-4-5-12/h6-8,10,12H,4-5,9,20H2,1-3H3